Task 38696434

Name test_103-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND1957_0
Workunit 31637066
Created 31 Oct 2026, 23:39:18 UTC
Sent 31 Oct 2026, 23:39:24 UTC
Report deadline 5 Nov 2026, 23:39:24 UTC
Received 1 Nov 2026, 2:35:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 655054
Run time 46 min 7 sec
CPU time 43 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,037.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 764.44 MB
Peak swap size 12.94 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
02:32:26 (6568): wrapper (7.9.26016): starting
02:32:26 (6568): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
02:32:28 (6568): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:32:28 (6568): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\boinc\slots\5\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\boinc\slots\5\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
03:16:36 (6568): C:/Windows/system32/cmd.exe exited; CPU time 2621.515625
03:16:36 (6568): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 44772233 bytes.
Dumping objects ->
{3835301} normal block at 0x000001FB50564340, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835290} normal block at 0x000001FB52340760, 32 bytes long.
 Data: <HOME=C:\boinc\sl> 48 4F 4D 45 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835279} normal block at 0x000001FB523401C0, 32 bytes long.
 Data: <TMP=C:\boinc\slo> 54 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835268} normal block at 0x000001FB52340AC0, 32 bytes long.
 Data: <TEMP=C:\boinc\sl> 54 45 4D 50 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835257} normal block at 0x000001FB5233FDA0, 32 bytes long.
 Data: <TMPDIR=C:\boinc\> 54 4D 50 44 49 52 3D 43 3A 5C 62 6F 69 6E 63 5C 
{3835226} normal block at 0x000001FB505642D0, 48 bytes long.
 Data: <PATH=C:\boinc\sl> 50 41 54 48 3D 43 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835215} normal block at 0x000001FB5230E0D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835212} normal block at 0x000001FB5055F130, 8 bytes long.
 Data: <  NP&#251;   > 00 00 4E 50 FB 01 00 00 
{3834573} normal block at 0x000001FB5230DC00, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833941} normal block at 0x000001FB5055EB40, 8 bytes long.
 Data: < +8R&#251;   > 10 2B 38 52 FB 01 00 00 
..\zip\boinc_zip.cpp(122) : {302} normal block at 0x000001FB50555E00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FB50556A90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{286} normal block at 0x000001FB50565010, 16 bytes long.
 Data: <&#200;IVP&#251;           > C8 49 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FB50565330, 16 bytes long.
 Data: <&#160;IVP&#251;           > A0 49 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FB50560040, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{283} normal block at 0x000001FB505656F0, 16 bytes long.
 Data: <xIVP&#251;           > 78 49 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FB50565510, 16 bytes long.
 Data: <PIVP&#251;           > 50 49 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FB50565290, 16 bytes long.
 Data: <(IVP&#251;           > 28 49 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FB50565100, 16 bytes long.
 Data: < IVP&#251;           > 00 49 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FB50564490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{278} normal block at 0x000001FB50564FC0, 16 bytes long.
 Data: < &#147;UP&#251;           > 98 93 55 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FB50560220, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{276} normal block at 0x000001FB50564F70, 16 bytes long.
 Data: <p&#147;UP&#251;           > 70 93 55 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FB50564ED0, 16 bytes long.
 Data: <H&#147;UP&#251;           > 48 93 55 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FB505652E0, 16 bytes long.
 Data: < &#147;UP&#251;           > 20 93 55 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FB505657E0, 16 bytes long.
 Data: <&#248;&#146;UP&#251;           > F8 92 55 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FB50564E80, 16 bytes long.
 Data: <&#208;&#146;UP&#251;           > D0 92 55 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FB50564D90, 16 bytes long.
 Data: <&#168;&#146;UP&#251;           > A8 92 55 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FB5055F9E0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{268} normal block at 0x000001FB50565920, 16 bytes long.
 Data: < &#146;UP&#251;           > 80 92 55 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FB50559280, 320 bytes long.
 Data: < YVP&#251;   &#224;&#249;UP&#251;   > 20 59 56 50 FB 01 00 00 E0 F9 55 50 FB 01 00 00 
{266} normal block at 0x000001FB50564E30, 16 bytes long.
 Data: <&#224;HVP&#251;           > E0 48 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FB50564DE0, 16 bytes long.
 Data: <&#184;HVP&#251;           > B8 48 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FB5055F7A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{263} normal block at 0x000001FB50565650, 16 bytes long.
 Data: < HVP&#251;           > 90 48 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FB5055FC80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{261} normal block at 0x000001FB50564D40, 16 bytes long.
 Data: <&#216;GVP&#251;           > D8 47 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FB50564B10, 16 bytes long.
 Data: <&#176;GVP&#251;           > B0 47 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FB50565A60, 16 bytes long.
 Data: < GVP&#251;           > 88 47 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FB50564CF0, 16 bytes long.
 Data: <`GVP&#251;           > 60 47 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FB5055F5E0, 16 bytes long.
 Data: <8GVP&#251;           > 38 47 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FB5055EB90, 16 bytes long.
 Data: < GVP&#251;           > 10 47 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FB5055F540, 16 bytes long.
 Data: <&#160;@VP&#251;           > A0 40 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FB505640A0, 40 bytes long.
 Data: <@&#245;UP&#251;   &#208;BVP&#251;   > 40 F5 55 50 FB 01 00 00 D0 42 56 50 FB 01 00 00 
{252} normal block at 0x000001FB5055F4F0, 16 bytes long.
 Data: <&#240;FVP&#251;           > F0 46 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001FB5055EE60, 16 bytes long.
 Data: <&#200;FVP&#251;           > C8 46 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001FB5055FE00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{249} normal block at 0x000001FB5055EFA0, 16 bytes long.
 Data: <&#160;FVP&#251;           > A0 46 56 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{248} normal block at 0x000001FB505646A0, 992 bytes long.
 Data: <&#160;&#239;UP&#251;    &#254;UP&#251;   > A0 EF 55 50 FB 01 00 00 00 FE 55 50 FB 01 00 00 
{84} normal block at 0x000001FB5055FAA0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{83} normal block at 0x000001FB5055EAF0, 16 bytes long.
 Data: < &#197;TP&#251;           > 10 C5 54 50 FB 01 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001FB5054C510, 40 bytes long.
 Data: <&#240;&#234;UP&#251;   &#160;&#250;UP&#251;   > F0 EA 55 50 FB 01 00 00 A0 FA 55 50 FB 01 00 00 
{61} normal block at 0x000001FB5055F270, 16 bytes long.
 Data: < &#234;&#215;&#194;&#247;           > 80 EA D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FB5055F220, 16 bytes long.
 Data: <@&#233;&#215;&#194;&#247;           > 40 E9 D7 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FB5055F310, 16 bytes long.
 Data: <&#248;W&#212;&#194;&#247;           > F8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FB5055E730, 16 bytes long.
 Data: <&#216;W&#212;&#194;&#247;           > D8 57 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FB5055EA50, 16 bytes long.
 Data: <P &#212;&#194;&#247;           > 50 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FB5055EFF0, 16 bytes long.
 Data: <0 &#212;&#194;&#247;           > 30 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001FB5055EF00, 16 bytes long.
 Data: <&#224; &#212;&#194;&#247;           > E0 02 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001FB5055EAA0, 16 bytes long.
 Data: <  &#212;&#194;&#247;           > 10 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000001FB5055F1D0, 16 bytes long.
 Data: <p &#212;&#194;&#247;           > 70 04 D4 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000001FB5055F180, 16 bytes long.
 Data: < &#192;&#210;&#194;&#247;           > 18 C0 D2 C2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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